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CHEBI:217147 - (1'S)-6-O-methyl-7-bromoaverantin

ChEBI IDCHEBI:217147
ChEBI Name(1'S)-6-O-methyl-7-bromoaverantin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21BrO7
Net Charge0
Average Mass465.296
Monoisotopic Mass464.04707
SMILESCCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Br)c1O)C2=O
InChIInChI=1S/C21H21BrO7/c1-3-4-5-6-11(23)16-12(24)7-9-14(20(16)27)19(26)15-10(18(9)25)8-13(29-2)17(22)21(15)28/h7-8,11,23-24,27-28H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyRHHQHEIDMUXSJH-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO F063 (ncbitaxon:1166486) - PubMed (22703109)
ChEBI Ontology
Outgoing Relation(s)
(1'S)-6-O-methyl-7-bromoaverantin (CHEBI:217147) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-bromo-1,6,8-trihydroxy-7-[(1S)-1-hydroxyhexyl]-3-methoxyanthracene-9,10-dione
Manual XrefsDatabases
28515041ChemSpider